3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide

C13H10F3N3O3S — CID 29409132

IUPAC3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
SMILESCc1ccsc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10F3N3O3S/c1-7-4-5-23-11(7)12(20)18-17-9-3-2-8(13(14,15)16)6-10(9)19(21)22/h2-6,17H,1H3,(H,18,20)
InChIKeyNJSAJUALIYCIRJ-UHFFFAOYSA-N
MW345.30 g/mol
LogP3.74
Rot. Bonds4

About 3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide

3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide (PubChem CID 29409132) has the molecular formula C13H10F3N3O3S and a molecular weight of 345.30 g/mol. Its IUPAC name is 3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
PubChem CID29409132
Molecular FormulaC13H10F3N3O3S
Molecular Weight345.30 g/mol
Exact Mass345.04
IUPAC Name3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
SMILESCc1ccsc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10F3N3O3S/c1-7-4-5-23-11(7)12(20)18-17-9-3-2-8(13(14,15)16)6-10(9)19(21)22/h2-6,17H,1H3,(H,18,20)
InChIKeyNJSAJUALIYCIRJ-UHFFFAOYSA-N
XLogP3.74
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29410018
2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409438
[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7837741
4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide
CID 30580944
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzohydrazide
CID 29409169
N-[(3-methylthiophen-2-yl)methyl]-2-nitro-4-(trifluoromethyl)aniline
CID 43427089
4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide
CID 29409991
N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409858
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 48524891
3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409295
N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carbohydrazide
CID 29409626

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide (CID 29409132) is 3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide is Cc1ccsc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide?
The InChIKey is NJSAJUALIYCIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O3S/c1-7-4-5-23-11(7)12(20)18-17-9-3-2-8(13(14,15)16)6-10(9)19(21)22/h2-6,17H,1H3,(H,18,20).
What are the key properties of 3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide?
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide has a molecular weight of 345.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 29409132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).